Ionic liquid for extracting phenolic compounds from oil and screening method thereof
A technology of phenolic compounds and ionic liquids, which is applied in the coal chemical industry and ionic liquid screening fields, and can solve problems such as unfavorable mass transfer, poor thermal stability, and easy decomposition
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example 1
[0058] (1) Select C24 cation and A35 anion, with pyridine hydroxypropyl thiocyanate ([HO-C 3 py][SCN]), m-cresol, cumene, and n-dodecane as examples, first use the density functional theory in Turbomole software to analyze [HO-C 3 py] + 、[SCN] - , m-cresol, cumene, and n-dodecane were optimized, and their stable molecular conformations were calculated to obtain their respective COSMO files.
[0059] (2) Import the COSMO file calculated in step (1) into the database of the COSMOtherm software, and use the liquid-liquid phase equilibrium calculation module in the COSMO-RS model through the COSMOtherm software to calculate the agent-oil ratio at 25°C as 1: 1. When the initial phenol content is 20%, 25%, and 30% respectively [HO-C 3 py][SCN]-m-cresol-cumene system and [HO-C 3 The liquid-liquid phase equilibrium data of py][SCN]-m-cresol-n-dodecane system, through the method of material balance, the extraction rate, partition coefficient, selectivity and The entrainment amount...
example 2
[0072] (1) Select No. C24 cation and No. A16 anion, with pyridine hydroxypropyl dicyandiamide salt ([HO-C 3 py][DCA]), m-cresol, cumene, and n-dodecane as examples, first use the density functional theory in Turbomole software to analyze [HO-C 3 py] + 、[DCA] - , m-cresol, cumene, and n-dodecane were optimized, and their stable molecular conformations were calculated to obtain their respective COSMO files.
[0073] (2) Import the COSMO file calculated in step (1) into the database of the COSMOtherm software, and use the liquid-liquid phase equilibrium calculation module in the COSMO-RS model through the COSMOtherm software to calculate the agent-oil ratio at 25°C as 1: 1. When the initial phenol content is 20%, 25%, and 30% respectively [HO-C 3 py][DCA]-m-cresol-cumene system and [HO-C 3 The liquid-liquid phase equilibrium data of py][DCA]-m-cresol-n-dodecane system, through the method of material balance, the extraction rate, partition coefficient, selectivity and The ent...
example 3
[0082] (1)[HO-C 3 Synthesis of py][SCN]: 57g of 3-chloro-1-propanol was added to a 250ml round bottom flask, and 40g of pyridine was slowly added to the round bottom flask using a constant pressure funnel, and the mixture was heated at 80°C After stirring for 24 hours, the obtained product was washed with ethyl acetate for 5 times, filtered, and vacuum-dried at 80° C. for 48 hours to obtain the intermediate pyridine hydroxypropyl chloride. Mix 18g of pyridine hydroxypropyl chloride salt and 10g of potassium thiocyanate into a 100ml round bottom flask, and add 30g of acetone as a solvent, stir at room temperature for 24h, after standing, remove the supernatant phase, and use a small amount of acetone The pyridinium ionic liquid was obtained by washing several times until no chloride ions were detected by silver nitrate solution in the washing liquid, and then rotary evaporated and stored in a vacuum oven at 100°C for 64 hours to obtain high-purity pyridinium hydroxypropyl thioc...
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